# generated using pymatgen
data_Li3Mn3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69685462
_cell_length_b   5.69685462
_cell_length_c   9.53955900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn3NiO8
_chemical_formula_sum   'Li6 Mn6 Ni2 O16'
_cell_volume   268.11997596
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.82760600  0.17239400  0.55495600  1.0
  Li  Li1  1  0.82760600  0.65521100  0.55495600  1.0
  Li  Li2  1  0.34478900  0.17239400  0.55495600  1.0
  Li  Li3  1  0.65521100  0.82760600  0.05495600  1.0
  Li  Li4  1  0.17239400  0.34478900  0.05495600  1.0
  Li  Li5  1  0.17239400  0.82760600  0.05495600  1.0
  Mn  Mn6  1  0.83322700  0.16677300  0.28615300  1.0
  Mn  Mn7  1  0.83322700  0.66645400  0.28615300  1.0
  Mn  Mn8  1  0.33354600  0.16677300  0.28615300  1.0
  Mn  Mn9  1  0.66645400  0.83322700  0.78615300  1.0
  Mn  Mn10  1  0.16677300  0.33354600  0.78615300  1.0
  Mn  Mn11  1  0.16677300  0.83322700  0.78615300  1.0
  Ni  Ni12  1  0.66666700  0.33333300  0.01102500  1.0
  Ni  Ni13  1  0.33333300  0.66666700  0.51102500  1.0
  O  O14  1  0.84088800  0.15911200  0.89882700  1.0
  O  O15  1  0.97190500  0.48595300  0.16404700  1.0
  O  O16  1  0.84088800  0.68177600  0.89882700  1.0
  O  O17  1  0.66666700  0.33333300  0.39741600  1.0
  O  O18  1  0.51404700  0.02809500  0.16404700  1.0
  O  O19  1  0.51404700  0.48595300  0.16404700  1.0
  O  O20  1  0.68177600  0.84088800  0.39882700  1.0
  O  O21  1  0.31822400  0.15911200  0.89882700  1.0
  O  O22  1  0.48595300  0.51404700  0.66404700  1.0
  O  O23  1  0.48595300  0.97190500  0.66404700  1.0
  O  O24  1  0.00000000  0.00000000  0.67780600  1.0
  O  O25  1  0.33333300  0.66666700  0.89741600  1.0
  O  O26  1  0.00000000  0.00000000  0.17780600  1.0
  O  O27  1  0.15911200  0.31822400  0.39882700  1.0
  O  O28  1  0.02809500  0.51404700  0.66404700  1.0
  O  O29  1  0.15911200  0.84088800  0.39882700  1.0